Molecule

ID:9747

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO₂S
Molecular Mass
174.1926832
Exact Mass
174.01507868
Charge
0
InChI
InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
YBYRMVIVWMBXKQ-UHFFFAOYSA-N
Canonic Smiles
FS(=O)(=O)Cc1ccccc1
Isomeric Smiles
c1(ccccc1)CS(=O)(=O)F
Calculated Properties
JChem
LogD (pH = 7.4)
1.39
LogD (pH = 5.5)
1.39
Log P
1.39
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
18.61
Polar Surface Area
34.14
Polarizability
15.48
Molar Refractivity
40.20
LOG S
-1.69
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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